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Integrated Network Pharmacology, Molecular Docking, and Experimental Validation to Explore Potential Mechanisms of Sinomenine in the Treatment of Osteoarthritis 综合网络药理学、分子对接和实验验证,探索西诺明治疗骨关节炎的潜在机制
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241262909
Shaojun Wang, Fanglin Lai, Ting Xiang, Yan Xu
ObjectiveTo systematically explore the targets and signaling pathways of sinomenine (SIN) in the treatment of osteoarthritis (OA) using integrated network pharmacology, molecular docking, and experimental validation.MethodsThe TCMSP, SwissADME, and Pharmmapper databases were used to predict SIN targets, while the databases of GeneCards, DisGeNET, OMIM, and DrugBank were selected to acquire OA targets. Subsequently, the intersection targets of SIN and OA disease were collected using the Veeny platform. Then, the protein-protein interaction (PPI) network map of “SIN-targets-OA” was established using String database and Cytoscape software. Additionally, the Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed through the Database for Annotation, Visualization and Integrated Discovery (DAVID). Additionally, the potential proteins of SIN against OA were validated via molecular docking technique. Finally, the experimental validation was performed in SW1353 cells induced by interleukin (IL)-1β.ResultsA total of 315 potential targets of SIN and 4300 OA-associated targets were collected from public databases, and 42 intersecting potential targets of SIN and OA disease acquired. Then, the PPI network diagram of “SIN-targets-OA” was acquired that comprised a total of 43 nodes and 82 edges. Moreover, 173 GO and 21 KEGG pathway entries were screened with a P-value <.05. Among them, peroxisome proliferator-activated receptor (PPAR) and IL-17 are the core signaling pathways. Molecular docking technique indicated strong binding energies of SIN with PPAR (−6.1 kcal/mol) and IL-17 (−6.3 kcal/mol). Lastly, SIN at the concentration of 50 μmol/L has a significant effect on IL-1β-induced SW1353 cells by the inhibition of PPAR-γ and IL-17A proteins without cytotoxicity.ConclusionThis work revealed the underlying targets and signaling pathways of SIN against OA using integrated network pharmacology molecular docking, and experimental validation. These findings provide scientific evidence for the clinical application of SIN for OA treatment.
方法 利用 TCMSP、SwissADME 和 Pharmmapper 数据库预测 SIN 靶点,同时选择 GeneCards、DisGeNET、OMIM 和 DrugBank 数据库获取 OA 靶点。随后,利用 Veeny 平台收集了 SIN 和 OA 疾病的交叉靶点。然后,利用 String 数据库和 Cytoscape 软件建立了 "SIN-靶点-OA "的蛋白-蛋白相互作用(PPI)网络图。此外,还通过注释、可视化和综合发现数据库(DAVID)进行了基因本体(GO)和京都基因组百科全书(KEGG)通路富集分析。此外,还通过分子对接技术验证了 SIN 针对 OA 的潜在蛋白。最后,在白细胞介素(IL)-1β诱导的SW1353细胞中进行了实验验证。结果从公共数据库中共收集到315个SIN潜在靶点和4300个OA相关靶点,并获得了42个SIN和OA疾病的交叉潜在靶点。然后,得到了 "SIN-靶点-OA "PPI 网络图,该网络图由 43 个节点和 82 条边组成。此外,还筛选出 173 个 P 值为 0.05 的 GO 和 21 个 KEGG 通路条目。其中,过氧化物酶体增殖激活受体(PPAR)和 IL-17 是核心信号通路。分子对接技术表明,SIN 与 PPAR(-6.1 kcal/mol)和 IL-17 (-6.3 kcal/mol)的结合能很强。最后,浓度为 50 μmol/L 的 SIN 通过抑制 PPAR-γ 和 IL-17A 蛋白,对 IL-1β 诱导的 SW1353 细胞有显著效果,且无细胞毒性。这些发现为 SIN 治疗 OA 的临床应用提供了科学依据。
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引用次数: 0
Traditional Applications, Ethnopharmacology, and Phytochemistry of Walnut Green Husk (Juglans regia L.): A Review 核桃绿壳(Juglans regia L.)的传统应用、民族药理学和植物化学:综述
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241262156
Bingge Li, Chengqian Cui, Caifang Zhang, Junmei Liu, Fusheng Hao, Lu Han, Changcai Bai, Shijie Wei
Walnut green husk (WGH) is the immature exocarp of Juglans regia L., a famous traditional herbal medicine that has long been used in China, Korea, Iran, and other places for the treatment of psoriasis, baldness, type II diabetes mellitus, intestinal worms, promotion of wound healing, and other diseases. With the advancement of modern scientific research, many studies have identified that WGH contains quinones, diarylheptane, triterpenoids, and flavonoids, and has excellent antitumor, anti-inflammatory, antibacterial, and antioxidant properties. These findings support the ethnopharmacological application of WGH and highlight the need for further investigation of the plant's potential uses in pharmaceutical fields. In this article, we made a comprehensive review of the traditional applications, botany, chemical components, pharmacological effects, and factors affecting the therapeutic properties of WGH based on a scientific literature review with a view to provide the latest information and research direction for further study and potential use of WGH. All data are gathered from scientific databases including Google Scholar, Pubmed, Sci-Finder, Web of Science, ScienceDirect, and China National Knowledge Infrastructure.
核桃青皮(WGH)是胡桃(Juglans regia L.)的未成熟外果皮,是一种著名的传统中药材,在中国、韩国、伊朗等地长期用于治疗牛皮癣、斑秃、Ⅱ型糖尿病、肠道蠕虫、促进伤口愈合等疾病。随着现代科学研究的发展,许多研究发现,WGH 含有醌类化合物、二芳基庚烷、三萜类化合物和黄酮类化合物,具有良好的抗肿瘤、抗炎、抗菌和抗氧化特性。这些发现支持了WGH的民族药理学应用,并强调了进一步研究该植物在医药领域潜在用途的必要性。本文在科学文献综述的基础上,对WGH的传统应用、植物学、化学成分、药理作用和影响治疗特性的因素进行了全面综述,以期为WGH的进一步研究和潜在用途提供最新信息和研究方向。所有数据均来自科学数据库,包括 Google Scholar、Pubmed、Sci-Finder、Web of Science、ScienceDirect 和中国国家知识基础设施。
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引用次数: 0
Protective Effect of Chikusetsu saponin IVa on Hydrogen Peroxide Induced Injury of IPEC-J2 Cells 筑雪皂苷 IVa 对过氧化氢诱导的 IPEC-J2 细胞损伤的保护作用
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241262895
Qing Liu, Yingfeng Ma, Hanxiao Fan, Jialu Li, Jinbao Tang, Tianjie Wang, Ying Fan, Jianming Su, Hongyu Lei
Objectives: Chikusetsu saponin IVa (CHS-IVa) is a saponin compound widely found in herbs such as Panax japonicus C.A.Mey, which has various functions. The purpose of this study was to investigate the protective effect of CHS-IVa on oxidative stress and inflammation in porcine intestinal epithelial cells (IPEC-J2) under the action of hydrogen peroxide (H2O2). Methods: Cell viability was detected by MTT method. The cell scratch experiment was used to test the repair ability of CHS-IVa on cells. The levels of lactate dehydrogenase (LDH), catalase (CAT), superoxide dismutase (SOD), glutathione (GSH), thioredoxin reductase (TrxR), and malondialdehyde (MDA) were tested using the relevant kits. The expression levels of TNF-α, NF-κB, IL-6, IL-1α, and P65 were detected by qPCR. Results: MTT results showed that CHS-IVa at 50 to 100 μg/mL could enhance the activity of IPEC-J2 cells within 24 hours. CHS-IVa at 80 and 100 μg/mL could promote damage repair and effectively inhibit the release of LDH production in IPEC-J2 cells after exposure to H2O2. Additionally, it had a restorative effect on the loss of TrxR, SOD, GSH, and CAT. At the same time, the treatment of CHS-IVa significantly decreased the mRNA expression of NF-κB, IL-6, and P65 after H2O2 treatment. Conclusion: These findings indicate that a specific concentration of CHS-IVa has a protective effect on IPEC during oxidative stress, thereby enhancing their ability to repair damage.
研究目的筑雪皂苷Ⅳa(CHS-Ⅳa)是一种广泛存在于三七等中草药中的皂苷化合物,具有多种功能。本研究旨在探讨 CHS-IVa 在过氧化氢(H2O2)作用下对猪肠上皮细胞(IPEC-J2)氧化应激和炎症的保护作用。研究方法用 MTT 法检测细胞活力。细胞划痕实验用于检测 CHS-IVa 对细胞的修复能力。使用相关试剂盒检测乳酸脱氢酶(LDH)、过氧化氢酶(CAT)、超氧化物歧化酶(SOD)、谷胱甘肽(GSH)、硫氧还原酶(TrxR)和丙二醛(MDA)的水平。通过 qPCR 检测 TNF-α、NF-κB、IL-6、IL-1α 和 P65 的表达水平。结果显示MTT 结果显示,50 至 100 μg/mL 的 CHS-IVa 可在 24 小时内增强 IPEC-J2 细胞的活性。80 和 100 μg/mL 的 CHS-IVa 能促进损伤修复,并有效抑制 IPEC-J2 细胞在暴露于 H2O2 后释放 LDH。此外,它还对 TrxR、SOD、GSH 和 CAT 的损失有修复作用。同时,CHS-IVA 还能显著降低 H2O2 处理后 NF-κB、IL-6 和 P65 的 mRNA 表达。结论这些研究结果表明,特定浓度的 CHS-IVa 在氧化应激过程中对 IPEC 有保护作用,从而增强其修复损伤的能力。
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引用次数: 0
Flavone From Plants—Uncommonly Common? A Comprehensive Review 植物中的黄酮--不常见?全面回顾
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241258290
Karin Valant-Vetschera, Lothar Brecker, Johann Schinnerl
Flavone is a very simple and unsubstituted flavonoid of restricted distribution in the plant kingdom. Historically it is known for a long time as major constituent of many Primula and Dionysia exudates produced by glandular hairs in unusually large amounts, often as a farinose (mealy) deposit on aerial plant parts. The ecological function of this unique farinose deposit and its main compound flavone is still not really understood. Concerning flavone, a knowledge gap exists about its biosynthetic origin, when compared to all of the flavonoid biosynthetic routes known to date. Thus, this review addresses not only the history of this compound and its occurrence in plants and in their respective compartments, but also discusses ideas on its putative biosynthesis. Furthermore, we provide up-to-date analytical data on this compound from a natural source, rather than from chemosynthesis, in a comprehensive way. Eco-functional aspects complement this study that is intended to be highly stimulating for future research in ecology and evolution.
黄酮是一种非常简单的未取代类黄酮,在植物界的分布很有限。长期以来,人们一直知道它是许多报春花和洋二仙草腺毛分泌物的主要成分,其数量异常巨大,通常作为植物气生部分上的一种远志糖(蚧壳虫)沉积物。人们对这种独特的粉糖沉积物及其主要化合物黄酮的生态功能仍不甚了解。关于黄酮,与迄今已知的所有类黄酮生物合成途径相比,其生物合成起源仍是一个知识空白。因此,这篇综述不仅探讨了这种化合物的历史及其在植物中的存在及其各自的组成部分,而且还讨论了有关其推测生物合成的观点。此外,我们还全面提供了关于这种来自天然来源而非化学合成的化合物的最新分析数据。生态功能方面对这项研究进行了补充,旨在对未来的生态学和进化研究产生极大的推动作用。
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引用次数: 0
Chemical Composition, Antimicrobial Activity, and Molecular Docking of the Main Phytoconstituents from Three Rarely Investigated Marine Macroalgae 三种罕见海洋大型藻类主要植物成分的化学成分、抗菌活性和分子对接研究
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241261016
Nehal A.H.K Osman, Mohamed S. Nafie, Hee-Kyoung Kang, Jin Won Hyun, Young-Sang Koh
Objective: This study aimed to investigate the phytochemical and mineral compositions, antimicrobial activities, and molecular docking of 3 abundant and understudied seaweeds ( Cystoseira trinodis, Padina boryana, and Turbinaria triquetra). Methods: Extraction was performed using absolute ethanol, and chemical and mineral compositions were determined using the standard methods of the Association of Official Analytical Chemists. Total phenolics and flavonoids were assessed using the Folin-Ciocalteu and aluminum chloride methods, respectively. Chemical composition was screened using gas chromatography-mass spectrometry (GC-MS), and antimicrobial activity was evaluated using a disc diffusion assay. In addition, molecular docking analysis of the main compounds was performed. Results: The samples had high ash, carbohydrate, and fiber contents. The results showed high amount of Na, K, Mg, Ca, and Fe, with the highest values for Ca. Trace elements such as Cu, Mn, and Zn were found in low amounts in the studied species. The content of total phenolics ranged from 15.54 ± 0.1 to 39.5 ± 0.2 mg gallic acid equivalent/g. For flavonoid, it ranged from 3.4 ± 0.3 to 1.5 ± 0.2 mg rutin/g. GC-MS revealed 9 major compounds, mainly fatty acids, which have been reported to have antimicrobial activity. The antimicrobial results indicated a higher impact of the extracts against bacteria ( Bacillus subtilis, Staphylococcus aureus, Escherichia coli and Proteus vulgaris) than against fungi ( Candida albicans and Aspergillus fumigatus), and a stronger dose-dependent effect against gram-positive ( B. subtilis and S. aureus) bacteria than against gram-negative bacteria ( E. coli and P. vulgaris). Molecular docking identified 1,2-benzenedicarboxylic acid mono(2-ethylhexyl) ester as the highest binding compound for penicillin-binding protein 6, suggesting its potential antimicrobial activity. Conclusion: These findings suggest that these seaweed species could serve as promising sources of functional foods with antimicrobial properties, with potential applications in the nutraceutical and pharmaceutical fields.
研究目的本研究旨在调查 3 种丰富但未被充分研究的海藻(Cystoseira trinodis、Padina boryana 和 Turbinaria triquetra)的植物化学成分、矿物质成分、抗菌活性和分子对接。方法:使用绝对乙醇进行提取,并使用官方分析化学家协会的标准方法测定化学成分和矿物质成分。总酚和类黄酮分别采用 Folin-Ciocalteu 法和氯化铝法进行评估。化学成分采用气相色谱-质谱法(GC-MS)进行筛选,抗菌活性采用盘扩散法进行评估。此外,还对主要化合物进行了分子对接分析。研究结果样品的灰分、碳水化合物和纤维含量较高。结果显示,Na、K、Mg、Ca 和 Fe 的含量较高,其中 Ca 的含量最高。研究物种中铜、锰和锌等微量元素含量较低。总酚的含量范围为 15.54 ± 0.1 至 39.5 ± 0.2 毫克没食子酸当量/克。黄酮类化合物的含量范围为 3.4 ± 0.3 至 1.5 ± 0.2 毫克芦丁/克。气相色谱-质谱(GC-MS)显示了 9 种主要化合物,主要是脂肪酸,据报道这些化合物具有抗菌活性。抗菌结果表明,萃取物对细菌(枯草杆菌、金黄色葡萄球菌、大肠杆菌和普通变形杆菌)的抗菌作用高于对真菌(白色念珠菌和烟曲霉)的抗菌作用,对革兰氏阳性菌(枯草杆菌和金黄色葡萄球菌)的抗菌作用与剂量有关,高于对革兰氏阴性菌(大肠杆菌和普通变形杆菌)的抗菌作用。分子对接发现,1,2-苯二甲酸单(2-乙基己酯)是与青霉素结合蛋白 6 结合率最高的化合物,这表明它具有潜在的抗菌活性。结论这些研究结果表明,这些海藻物种可作为具有抗菌特性的功能食品的理想来源,在营养保健品和制药领域具有潜在的应用前景。
{"title":"Chemical Composition, Antimicrobial Activity, and Molecular Docking of the Main Phytoconstituents from Three Rarely Investigated Marine Macroalgae","authors":"Nehal A.H.K Osman, Mohamed S. Nafie, Hee-Kyoung Kang, Jin Won Hyun, Young-Sang Koh","doi":"10.1177/1934578x241261016","DOIUrl":"https://doi.org/10.1177/1934578x241261016","url":null,"abstract":"Objective: This study aimed to investigate the phytochemical and mineral compositions, antimicrobial activities, and molecular docking of 3 abundant and understudied seaweeds ( Cystoseira trinodis, Padina boryana, and Turbinaria triquetra). Methods: Extraction was performed using absolute ethanol, and chemical and mineral compositions were determined using the standard methods of the Association of Official Analytical Chemists. Total phenolics and flavonoids were assessed using the Folin-Ciocalteu and aluminum chloride methods, respectively. Chemical composition was screened using gas chromatography-mass spectrometry (GC-MS), and antimicrobial activity was evaluated using a disc diffusion assay. In addition, molecular docking analysis of the main compounds was performed. Results: The samples had high ash, carbohydrate, and fiber contents. The results showed high amount of Na, K, Mg, Ca, and Fe, with the highest values for Ca. Trace elements such as Cu, Mn, and Zn were found in low amounts in the studied species. The content of total phenolics ranged from 15.54 ± 0.1 to 39.5 ± 0.2 mg gallic acid equivalent/g. For flavonoid, it ranged from 3.4 ± 0.3 to 1.5 ± 0.2 mg rutin/g. GC-MS revealed 9 major compounds, mainly fatty acids, which have been reported to have antimicrobial activity. The antimicrobial results indicated a higher impact of the extracts against bacteria ( Bacillus subtilis, Staphylococcus aureus, Escherichia coli and Proteus vulgaris) than against fungi ( Candida albicans and Aspergillus fumigatus), and a stronger dose-dependent effect against gram-positive ( B. subtilis and S. aureus) bacteria than against gram-negative bacteria ( E. coli and P. vulgaris). Molecular docking identified 1,2-benzenedicarboxylic acid mono(2-ethylhexyl) ester as the highest binding compound for penicillin-binding protein 6, suggesting its potential antimicrobial activity. Conclusion: These findings suggest that these seaweed species could serve as promising sources of functional foods with antimicrobial properties, with potential applications in the nutraceutical and pharmaceutical fields.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"245 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778367","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dracocephalum moldavica L. Extract Ameliorates Hypertension Through Modulating the Interaction Between miRNAs and Gut Microbiota in 2K1C Rats 龙脑提取物通过调节 2K1C 大鼠体内 miRNA 与肠道微生物群之间的相互作用改善高血压状况
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241261020
Hui Yu, Zhangjun Chen, Huixia Chen, Zhanli Wang
Aim: To investigate the therapeutic effects of Dracocephalum moldavica L. extract (DME) against hypertension and elucidate the underlying molecular mechanism. Method: A two-kidney one-clip (2K1C) model was established in male Wistar rats, and DME or saline was administered via oral gavage for 4 weeks. Subsequently, the blood pressure was monitored. Fecal microRNAs (miRNAs), gut microbes, and host metabolites were evaluated through miRNA sequencing, 16S rRNA gene sequencing, and serum metabolomics analysis, respectively. Results: DME administration attenuated 2K1C-induced hypertension in rats. Additionally, DME alleviated the dysregulation of miRNA expression and gut microbiota dysbiosis in 2K1C rats. The correlation analysis confirmed the association of the differentially expressed miRNAs with gut microbes. Furthermore, non-targeted metabolomics analysis revealed different metabolic profiles in the serum of 2K1C rats compared to control rats. Interestingly, the changes in those serum metabolites were partially attenuated by DME. The metabolite enrichment analysis demonstrated that the differentially expressed metabolites were mainly involved in three metabolic pathways (Arachidonic acid metabolism, TCA cycle, and Alanine, aspartate and glutamate metabolism). Conclusion: DME can be suggested as an effective intervention in the prevention of hypertension through modulating the miRNAs, gut microbiota, and host metabolites. Our findings may give new insights regarding the treatment of hypertension.
目的:研究Dracocephalum moldavica L.提取物(DME)对高血压的治疗作用,并阐明其分子机制。方法:采用双肾单夹(2K)模型:在雄性Wistar大鼠体内建立双肾单夹(2K1C)模型,通过口腔灌胃给药DME或生理盐水,持续4周。随后监测血压。通过 miRNA 测序、16S rRNA 基因测序和血清代谢组学分析,分别对粪便微RNA(miRNA)、肠道微生物和宿主代谢物进行了评估。结果显示服用二甲亚硝胺可减轻2K1C诱导的大鼠高血压。此外,DME还缓解了2K1C大鼠体内miRNA表达失调和肠道微生物群失调。相关性分析证实了差异表达的 miRNA 与肠道微生物之间的联系。此外,非靶向代谢组学分析显示,与对照组大鼠相比,2K1C 大鼠血清中的代谢谱有所不同。有趣的是,这些血清代谢物的变化在一定程度上被二甲亚硝胺所减弱。代谢物富集分析表明,差异表达的代谢物主要涉及三个代谢途径(花生四烯酸代谢、TCA 循环以及丙氨酸、天门冬氨酸和谷氨酸代谢)。结论通过调节 miRNA、肠道微生物群和宿主代谢物,DME 可作为预防高血压的有效干预措施。我们的研究结果可为高血压的治疗提供新的见解。
{"title":"Dracocephalum moldavica L. Extract Ameliorates Hypertension Through Modulating the Interaction Between miRNAs and Gut Microbiota in 2K1C Rats","authors":"Hui Yu, Zhangjun Chen, Huixia Chen, Zhanli Wang","doi":"10.1177/1934578x241261020","DOIUrl":"https://doi.org/10.1177/1934578x241261020","url":null,"abstract":"Aim: To investigate the therapeutic effects of Dracocephalum moldavica L. extract (DME) against hypertension and elucidate the underlying molecular mechanism. Method: A two-kidney one-clip (2K1C) model was established in male Wistar rats, and DME or saline was administered via oral gavage for 4 weeks. Subsequently, the blood pressure was monitored. Fecal microRNAs (miRNAs), gut microbes, and host metabolites were evaluated through miRNA sequencing, 16S rRNA gene sequencing, and serum metabolomics analysis, respectively. Results: DME administration attenuated 2K1C-induced hypertension in rats. Additionally, DME alleviated the dysregulation of miRNA expression and gut microbiota dysbiosis in 2K1C rats. The correlation analysis confirmed the association of the differentially expressed miRNAs with gut microbes. Furthermore, non-targeted metabolomics analysis revealed different metabolic profiles in the serum of 2K1C rats compared to control rats. Interestingly, the changes in those serum metabolites were partially attenuated by DME. The metabolite enrichment analysis demonstrated that the differentially expressed metabolites were mainly involved in three metabolic pathways (Arachidonic acid metabolism, TCA cycle, and Alanine, aspartate and glutamate metabolism). Conclusion: DME can be suggested as an effective intervention in the prevention of hypertension through modulating the miRNAs, gut microbiota, and host metabolites. Our findings may give new insights regarding the treatment of hypertension.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"69 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778606","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Flavonoid Variability in Carica papaya L. var. Sekaki Leaf Maturation and Its Association With Sexual Differentiation Using Targeted Metabolomics 利用靶向代谢组学研究番木瓜叶片成熟过程中的类黄酮变异及其与性分化的关系
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241260175
Norazlan Mohmad Misnan, Adlin Afzan, Maizatul Hasyima Omar, Kah Hin Low
BackgroundCarica papaya L. is a dioecious plant with leaves known for their medicinal and nutritional value due to their rich phytochemical content, including flavonoids. Phytochemical variability arising from plant maturity and sex differences may influence the bioactivity of the plant.ObjectivesThis research aims to investigate the variations of flavonoids in C. papaya leaves across different maturation stages and the impact of sex differences on the accumulation of these compounds.MethodsAn ultra-high performance liquid chromatography–tandem mass spectrometry method was developed to quantify 6 flavonoids (manghaslin, clitorin, rutin, nicotiflorin, quercetin, and isorhamnetin) in the leaves simultaneously. The acquired data were further analyzed using chemometric tools.ResultsSignificantly higher concentrations of flavonoids were observed in shoots and young leaves in comparison to older leaves. Furthermore, distinct variations in flavonoid composition between male and female plants were also observed, especially in young leaves, as evidenced by hierarchical clustering analysis. Further analysis of flavonoid content indicates that clitorin, nicotiflorin, and rutin could serve as chemical markers to differentiate maturation stages and sexes.ConclusionThe study revealed significant variations in flavonoid concentrations during leaf development and between male and female plants, highlighting the importance of understanding these differences for unlocking the full potential of C. papaya leaves in medical and nutritional applications.
背景木瓜(Carica papaya L.)是一种雌雄异株植物,其叶片因含有丰富的植物化学物质(包括类黄酮)而具有药用和营养价值。本研究旨在探讨木瓜叶片中黄酮类化合物在不同成熟阶段的变化以及性别差异对这些化合物积累的影响。方法采用超高效液相色谱-串联质谱法同时定量检测木瓜叶片中的6种黄酮类化合物(莽草素、木犀草素、芦丁、烟花素、槲皮素和异鼠李素)。结果与老叶相比,嫩枝和嫩叶中黄酮类化合物的浓度明显更高。此外,通过分层聚类分析,还观察到雌雄植株的类黄酮组成存在明显差异,尤其是在嫩叶中。对黄酮类化合物含量的进一步分析表明,花蒂素、烟花素和芦丁可作为区分成熟阶段和性别的化学标记。
{"title":"Flavonoid Variability in Carica papaya L. var. Sekaki Leaf Maturation and Its Association With Sexual Differentiation Using Targeted Metabolomics","authors":"Norazlan Mohmad Misnan, Adlin Afzan, Maizatul Hasyima Omar, Kah Hin Low","doi":"10.1177/1934578x241260175","DOIUrl":"https://doi.org/10.1177/1934578x241260175","url":null,"abstract":"BackgroundCarica papaya L. is a dioecious plant with leaves known for their medicinal and nutritional value due to their rich phytochemical content, including flavonoids. Phytochemical variability arising from plant maturity and sex differences may influence the bioactivity of the plant.ObjectivesThis research aims to investigate the variations of flavonoids in C. papaya leaves across different maturation stages and the impact of sex differences on the accumulation of these compounds.MethodsAn ultra-high performance liquid chromatography–tandem mass spectrometry method was developed to quantify 6 flavonoids (manghaslin, clitorin, rutin, nicotiflorin, quercetin, and isorhamnetin) in the leaves simultaneously. The acquired data were further analyzed using chemometric tools.ResultsSignificantly higher concentrations of flavonoids were observed in shoots and young leaves in comparison to older leaves. Furthermore, distinct variations in flavonoid composition between male and female plants were also observed, especially in young leaves, as evidenced by hierarchical clustering analysis. Further analysis of flavonoid content indicates that clitorin, nicotiflorin, and rutin could serve as chemical markers to differentiate maturation stages and sexes.ConclusionThe study revealed significant variations in flavonoid concentrations during leaf development and between male and female plants, highlighting the importance of understanding these differences for unlocking the full potential of C. papaya leaves in medical and nutritional applications.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"4 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778365","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Chemical Composition of Essential Oil and Headspace Volatiles of Balkan Endemic Taxon Achillea ×vandasii Velen 巴尔干特有类群 Achillea ×vandasii Velen 的精油化学成分和顶空挥发性物质
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241264624
Snežana Č. Jevtović, Jelena P. Stojković, Zorica S. Mitić, Marjan S. Niketić, Gordana S. Stojanović
BackgroundGenus Achillea L., one of the largest and the most taxonomically complicated genera of the Asteraceae family, has a complex phyletic structure due to excessive hybridization and polyploidy, which especially occurs among species from the Achillea section. Although the genus has been investigated in detail, a hybrid Achillea ×vandasii Velen has not been studied for volatile profiles. Thus, this study aimed to analyze and compare headspace volatiles (HSVs) from rosette leaf, stem leaf, stem, and inflorescence as well as essential oil (EO) of plant aerial parts.MethodsThe chemical composition of the headspace volatiles and essential oil of a hybrid Achillea ×vandasii Velen. were analyzed by gas chromatography with a flame ionization detector (GC-FID) and gas chromatography-mass spectrometry (GC-MS).ResultsThe distribution among HSVs depends on the plant organ investigated. Generally, monoterpene hydrocarbons and oxygenated monoterpenes were dominant in all headspace samples, primarily 1,8-cineole followed by α-pinene and β-pinene. Sesquiterpenoids were absent or presented in a low percentage. Unlike HSVs, the EO was abundant in sesquiterpene hydrocarbons and their oxygenated derivates. Among all, caryophyllene oxide, α-cadinol, and germacrene D were dominant in the studied essential oil.ConclusionsThe results showed that the qualitative and quantitative composition of studied headspace volatiles and essential oil differ significantly in terms of terpene content. Considering the hybrid origin of the studied taxon and obtained volatile profiles, the tested hybrid shows no or very weak agreement with the parental species.
背景蓍草属(Achillea L.)是菊科中最大、分类最复杂的属之一,由于过度杂交和多倍体,其植物结构十分复杂,尤其是在蓍草科的物种之间。虽然已经对该属进行了详细研究,但尚未对杂交种 Achillea ×vandasii Velen 的挥发性特征进行研究。因此,本研究旨在分析和比较莲座叶、茎叶、茎和花序的顶空气体挥发物(HSVs)以及植物气生部分的精油(EO)。结果 HSVs 之间的分布取决于所研究的植物器官。一般来说,单萜烃和含氧单萜在所有顶空样品中占主导地位,主要是 1,8-蒎烯,其次是 α-蒎烯和β-蒎烯。倍半萜类化合物不存在或含量较低。与 HSV 不同,环氧乙烷富含倍半萜烃及其含氧衍生物。结论结果表明,所研究的顶空挥发物和精油在萜烯含量的定性和定量组成方面存在显著差异。考虑到所研究分类群的杂交起源和所获得的挥发性特征,所测试的杂交种与亲本物种没有或只有很弱的一致性。
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引用次数: 0
Exploring (Un)Covered Potentials of Industrial Hemp (Cannabis sativa L.) Essential Oil and Hydrolate: From Chemical Characterization to Biological Activities 探索工业大麻(Cannabis sativa L.)精油和水合物的(未)覆盖潜力:从化学特性到生物活性
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241264712
Olja Šovljanski, Milica Aćimović, Vladimir Sikora, Anamarija Koren, Anja Saveljić, Ana Tomić, Vele Tešević
ObjectivesThe present study focused on exploring the chemical composition of essential oil and corresponding hydrolate obtained by steam distillation of industrial hemp ( Cannabis sativa L.) cultivar “Helena” (low THC content).MethodsChemical characterization of industrial hemp essential oil and hydrolate was performed by gas chromatographic and gas chromatographic-mass spectrometric analysis, while biological activities included antimicrobial and antioxidant tests. Antimicrobial activity was determined by measuring diameters of the inhibition zone by using a disc-diffusion method with nine microbial strains from ATCC culture. Moreover, minimal inhibitory concentration (MIC) as well as time-kill kinetic studies, antiadhesion, and antibiofilm formation potential were also evaluated. Antioxidant activity was evaluated through three different antioxidant assays: 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azinobis-3-ethylbenzothiazoline-6-sulphonic acid (ABTS●+), and reducing power (RP).ResultsThe gas chromatography mass spectrometry analysis showed that the main compound in the essential oil was trans-caryophyllene (37.4%), followed by caryophyllene oxide (12.4%) and α-humulene (11.0%), while in the hydrolate it was 1,8-cineole (11.5%). Results showed that industrial hemp essential oil and hydrolate exhibited no antimicrobial activity against gram-negative bacteria, yeasts, and fungi, while gram-positive bacteria were sensitive. Therefore, in the following step, MIC was determined by microdilution method. The lowest MIC for essential oil (12.5%) was obtained for Enterococcus faecalis and Staphylococcus aureus, while this value doubled for Listeria monocytogenes. Conversely, the MIC for hydrolate was 100% for all gram-positive bacteria. Antioxidant activity showed that industrial hemp essential oil and hydrolate have potential as natural sources of antioxidants.ConclusionThis research confirmed the previously proven antimicrobial and antioxidant activities of industrial hemp essential oil. The novelty lies in the antimicrobial and antioxidant activity of hydrolate, which is practically waste, but has great potential to be a useful by-product.
本研究的重点是探索工业大麻(Cannabis sativa L.)栽培品种 "Helena"(四氢大麻酚含量低)通过水蒸气蒸馏法获得的精油和相应的水合产物的化学成分。方法通过气相色谱和气相色谱-质谱分析法对工业大麻精油和水合产物进行化学表征,生物活性包括抗菌和抗氧化测试。抗菌活性的测定是通过使用盘扩散法测量九种来自 ATCC 培养物的微生物菌株的抑菌区直径。此外,还对最小抑菌浓度(MIC)、时间致死动力学研究、抗粘附性和抗生菌膜形成潜力进行了评估。抗氧化活性通过三种不同的抗氧化检测方法进行评估:2,2-二苯基-1-苦基肼(DPPH●)、2,2′-偶氮二异-3-乙基苯并噻唑啉-6-磺酸(ABTS●+)和还原力(RP)。结果气相色谱质谱分析表明,精油中的主要化合物是反式叶绿素(37.4%),其次是氧化叶绿素(12.4%)和α-胡麻烯(11.0%),而水解产物中的主要化合物是 1,8-蒎烯(11.5%)。结果表明,工业大麻精油和水合酯对革兰氏阴性菌、酵母菌和真菌没有抗菌活性,而对革兰氏阳性菌敏感。因此,下一步采用微量稀释法测定 MIC。粪肠球菌和金黄色葡萄球菌对精油的 MIC 最低(12.5%),而对单核细胞增生李斯特菌的 MIC 值则增加了一倍。相反,水合酯对所有革兰氏阳性菌的 MIC 值为 100%。抗氧化活性表明,工业大麻精油和水合酸盐具有作为天然抗氧化剂来源的潜力。新颖之处在于水合酸盐的抗菌和抗氧化活性,水合酸盐实际上是一种废物,但具有成为有用副产品的巨大潜力。
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引用次数: 0
Recent Development of a Traditional Herbal Medicine, Stixis suaveolens (Roxb.) Pierre: Its Botany, Ethnomedicine, Phytochemistry, Pharmacology, and Toxicology 传统草药 Stixis suaveolens (Roxb.) Pierre 的最新发展:植物学、民族医药学、植物化学、药理学和毒理学
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-23 DOI: 10.1177/1934578x241262896
Tran Van Chen, Nguyen Trong Nghia, Nguyen Thi Thu Hien
Background/ObjectivePlant-based products and their isolated compounds have been utilized in traditional medicine since early times. In folk medicine, Stixis suaveolens (Roxb.) Pierre has been used to treat painful tendons and bones, rheumatism, eye infections, cough, malaria, asthma, and cardiovascular diseases. This study aims to summarize up-to-date botany, ethnomedicine, phytochemical components, pharmacological effects, and toxicology.MethodsInformation on S. suaveolens was collected from databases such as the Web of Science, Scopus, Google Scholar, PubMed, Science Direct, Springer, and others.ResultsS. suaveolens has been demonstrated to possess various pharmacological effects, including antioxidant, antimicrobial, anti-inflammatory, antidiabetic, antidepressant, antidiarrheal, hepatoprotective, analgesic, antihemolytic, and thrombolytic activities. Phytochemical studies of this species have revealed the presence of secondary metabolites, including lignans, phenolics, alkaloids, and volatile components.ConclusionThe pharmacological effects of the extracts and bioactive compounds resulting from the experimental studies in the review support the traditional uses of S. suaveolens. They could be useful in developing novel pharmacological applications in the treatment of various acute and chronic human ailments. The efficacy, safety, and toxicity of S. suaveolens plant in enhancing therapeutic efficacy should be investigated widely in further studies.
背景/目的植物类产品及其分离化合物很早就被用于传统医药中。在民间医药中,皮埃尔(Stixis suaveolens (Roxb.) Pierre)被用于治疗筋骨疼痛、风湿、眼部感染、咳嗽、疟疾、哮喘和心血管疾病。本研究旨在总结最新的植物学、民族医药学、植物化学成分、药理作用和毒理学。方法从 Web of Science、Scopus、Google Scholar、PubMed、Science Direct、Springer 等数据库中收集有关 S. suaveolens 的信息。结果已证明蛇床子具有多种药理作用,包括抗氧化、抗菌、抗炎、抗糖尿病、抗抑郁、止泻、保肝、镇痛、抗溶血和溶栓活性。对该物种进行的植物化学研究表明,其存在次生代谢物,包括木脂素、酚类、生物碱和挥发性成分。它们可用于开发治疗人类各种急慢性疾病的新型药理应用。应在进一步的研究中广泛调查 S. suaveolens 植物在提高疗效方面的功效、安全性和毒性。
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引用次数: 0
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Natural Product Communications
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